5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole

C13H15N3O5S2 — CID 90593680

IUPAC5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cnc[nH]3)C2)cc1
InChIInChI=1S/C13H15N3O5S2/c1-21-10-2-4-11(5-3-10)22(17,18)12-7-16(8-12)23(19,20)13-6-14-9-15-13/h2-6,9,12H,7-8H2,1H3,(H,14,15)
InChIKeyICXCOMZWRMIZCO-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.27
Rot. Bonds5

About 5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole

5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole (PubChem CID 90593680) has the molecular formula C13H15N3O5S2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole.

Molecular Properties

Compound Name5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole
PubChem CID90593680
Molecular FormulaC13H15N3O5S2
Molecular Weight357.41 g/mol
Exact Mass357.05
IUPAC Name5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cnc[nH]3)C2)cc1
InChIInChI=1S/C13H15N3O5S2/c1-21-10-2-4-11(5-3-10)22(17,18)12-7-16(8-12)23(19,20)13-6-14-9-15-13/h2-6,9,12H,7-8H2,1H3,(H,14,15)
InChIKeyICXCOMZWRMIZCO-UHFFFAOYSA-N
XLogP0.27
TPSA109.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
CID 72718913
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593630
1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593700
1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593624
3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine
CID 90593675
1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 6621880
1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593644
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 72718927
3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine
CID 72718921
1-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-2,2-dimethylpropan-1-one
CID 90593284
1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593207

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole?
The IUPAC name of 5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole (CID 90593680) is 5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole.
What is the SMILES notation for 5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole?
The canonical SMILES for 5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole is COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cnc[nH]3)C2)cc1.
What is the InChIKey of 5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole?
The InChIKey is ICXCOMZWRMIZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5S2/c1-21-10-2-4-11(5-3-10)22(17,18)12-7-16(8-12)23(19,20)13-6-14-9-15-13/h2-6,9,12H,7-8H2,1H3,(H,14,15).
What are the key properties of 5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole?
5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole has a molecular weight of 357.41 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole is sourced from PubChem (CID 90593680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).